5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

C16H17BrN4O3 — CID 66610082

IUPAC5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCn1cc(Br)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C16H17BrN4O3/c1-20-10-13(17)19-14(16(20)23)18-12-4-2-11(3-5-12)15(22)21-6-8-24-9-7-21/h2-5,10H,6-9H2,1H3,(H,18,19)
InChIKeyYAUNPJDEVJGNAT-UHFFFAOYSA-N
MW393.24 g/mol
LogP1.76
Rot. Bonds3

About 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one

5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (PubChem CID 66610082) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
PubChem CID66610082
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC Name5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
SMILESCn1cc(Br)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O
InChIInChI=1S/C16H17BrN4O3/c1-20-10-13(17)19-14(16(20)23)18-12-4-2-11(3-5-12)15(22)21-6-8-24-9-7-21/h2-5,10H,6-9H2,1H3,(H,18,19)
InChIKeyYAUNPJDEVJGNAT-UHFFFAOYSA-N
XLogP1.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383
4-[4-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]benzoyl]-3-tert-butylpiperazine-1-carboxylic acid
CID 174158927
4-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 11851477
4-(azepan-1-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895717
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,4-oxazepane-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895059
6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
1-methyl-5-[2-methyl-3-[(4R)-3-methyl-2-oxo-4-phenylimidazolidin-1-yl]phenyl]-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 90281170
N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide
CID 58729055
N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 118728348
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-N-propan-2-ylbenzamide
CID 171457687
N-[2-ethyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-(1-methylcyclobutyl)benzamide
CID 142760128
4-tert-butyl-2-[[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]anilino]methyl]benzoic acid
CID 66610147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one (CID 66610082) is 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is Cn1cc(Br)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
The InChIKey is YAUNPJDEVJGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c1-20-10-13(17)19-14(16(20)23)18-12-4-2-11(3-5-12)15(22)21-6-8-24-9-7-21/h2-5,10H,6-9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one?
5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one has a molecular weight of 393.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one is sourced from PubChem (CID 66610082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).